Integrated computational and experimental identification of Aurora A kinase inhibitors for breast cancer therapy.
The present study aimed to identify potential Aurora A kinase (AURKA) inhibitors using an integrated computational and experimental approach. A total of 281 curated AURKA inhibitors from the ChEMBL database, with IC50 ≤ 1 nM, were analysed using physicochemical descriptors and clustering techniques, with K-means showin...